Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Sequence alignments

• Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

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HXXCIPXEXVCX
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HXXCIPXEXVCX

Chain assignments

Content subtype: combined_30362_6bet.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 12, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 67
     • ¹⁵N chemical shifts: 8
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         2	DPR
         3	DVA
         7	DPR
         9	DLY
         12	DGL

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	39	38	97.4
         15N chemical shifts	6	5	83.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3
         15N chemical shifts	6	5	83.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	26	26	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	100.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Covalent bonds

1. Saveframe: assembly
   • Status: OK

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 12, Sequence coverage: 66.7%

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     H..CIPXE.VC 
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   • Total number of restraints: 61
     • Intra-residue restraints, i = j : 33
     • Sequential restraints, | i - j | = 1 : 17
       • Backbone-backbone: 3
       • Backbone-side chain: 10
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 2
       • Backbone-backbone: 1
       • Backbone-side chain: 1
     • Long range restraints, | i - j | >= 5 : 9
   • Weight of restraints: 1.0 (61)
     • Intra-residue restraints, i = j : 1.0 (33)
     • Sequential restraints, | i - j | = 1 : 1.0 (17)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (10)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (2)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (9)
   • Potential type of restraints: square-well-parabolic (61)
     • Intra-residue restraints, i = j : square-well-parabolic (33)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (17)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (10)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (2)
       • Backbone-backbone: square-well-parabolic (1)
       • Backbone-side chain: square-well-parabolic (1)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (9)
   • Range of distance target values: 3.5, 4.5 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A